Consensus flow list

2-ethylhexyl Nonanoate

fo-9e787bcbd9ec7875

Identity

Type
Neutral molecule
CAS
59587-44-9
EC
261-819-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-ethylhexyl Nonanoate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CCFWAONPPYWNDM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H34O2/c1-4-7-9-10-11-12-14-17(18)19-15-16(6-3)13-8-5-2/h16H,4-15H2,1-3H3
IUPAC name chemrof:IUPAC_name 2-ethylhexyl Nonanoate
Molecular formula chemrof:molecular_formula C17H34O2
Molecular mass chemrof:molecular_mass 270.457
Monoisotopic mass chemrof:monoisotopic_mass 270.25588
SMILES string chemrof:smiles_string CCCCCCCCC(=O)OCC(CC)CCCC

Known URLs

7

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=59587-44-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.056.182 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80866762 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3YU1SQ04DV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J298.188B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/101087 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27258217 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
960c72da-cb18-4ed3-ad11-58dad6db839e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
9051252c-9133-4987-bb8e-551abbdbe88a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
45c6919b-1c10-4019-9bc2-c5ea9e73008f Environmental → Air → Indoor EF 3.1 kg 4
7e5e95fb-006f-4b8e-bed8-cbc6e3665d37 Environmental → Air → Long-term EF 3.1 kg 0
33985deb-f477-49a7-b447-3646fb3776c2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
af9d182f-7a1f-4fb8-82d3-f97c15c97bef Environmental → Air → Unknown EF 3.1 kg 4
0ddf9fd7-d587-46c1-97b6-38c46629a031 Environmental → Ground → Agricultural EF 3.1 kg 4
cbdb37f7-d164-4937-ae90-2c7045455062 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c1494598-1cdf-4b28-ac33-ff053367b33c Environmental → Ground → Unknown EF 3.1 kg 4
feb0da85-32c4-4b7b-bba8-7de5b68d953d Environmental → Water → Long-term EF 3.1 kg 0
1a06b22c-9d4e-456a-95a1-5bf1392495b3 Environmental → Water → Ocean EF 3.1 kg 4
1a21c6c0-4066-4d89-8097-b81b9099fe73 Environmental → Water → Surface water EF 3.1 kg 4
f8ff73ee-f42e-4eea-bdf4-4a38c2891624 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "2-Ethylhexyl pelargonate",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Nonanoic acid, 2-ethylhexyl ester",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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